SCHEMBL10469282

SCHEMBL10469282

CC(C=CCO)Oc1ccc(Oc2cnc3cc(Br)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HTT P42858 8/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10469281 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL10470232 0.87 HTT (0.46) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL10470231 0.87 HTT (0.46) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL9472585 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL9472588 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL3720887 0.81 HTT (0.47) ALDH1A1CYP1A2LMNAMAPTHPGD
4-Chloro-Benzoic Acid SCHEMBL9877235 0.80 CYP1A2 (0.53) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL10971032 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2LMNAMAPTHPGD
SCHEMBL11281289 0.77 MAPT (0.38) ALDH1A1LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL9587990 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2LMNAMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4976772-A POSTEMERGENT CONTROL OF GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-12-11 — — US claimed
US-4976772-A POSTEMERGENT CONTROL OF GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-12-11 — — US disclosed
US-4900354-A CONTROLLING GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-02-13 — — US disclosed
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